2-(2-methyl-3-oxidanylidene-7-phenylmethoxycarbonyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-3-oxidanylidene-7-phenylmethoxycarbonyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoic acid Openeye Name: 2-(7-benzyloxycarbonyl-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid CAS Name: 2-(2-methyl-3-oxo-7-phenylmethoxycarbonyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid IUPAC Name: 2-(2-methyl-3-oxo-7-phenylmethoxycarbonyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid Traditional Name: 2-(7-carbobenzoxy-3-keto-2-methyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(CC(C1=O)CC(=O)O)C=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1CC2=C(CC(C1=O)CC(=O)O)C=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5/c1-22-12-16-8-7-15(21(26)27-13-14-5-3-2-4-6-14)9-17(16)10-18(20(22)25)11-19(23)24/h2-9,18H,10-13H2,1H3,(H,23,24)